(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine

C15H16BrN3O — CID 161462801

IUPAC(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
SMILESBrc1ccc(Cc2ccc([C@@H]3CNCCO3)nc2)nc1
InChIInChI=1S/C15H16BrN3O/c16-12-2-3-13(18-9-12)7-11-1-4-14(19-8-11)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2/t15-/m0/s1
InChIKeyWCAQCXAVMHAOIQ-HNNXBMFYSA-N
MW334.22 g/mol
LogP2.49
Rot. Bonds3

About (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine

(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine (PubChem CID 161462801) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
PubChem CID161462801
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
SMILESBrc1ccc(Cc2ccc([C@@H]3CNCCO3)nc2)nc1
InChIInChI=1S/C15H16BrN3O/c16-12-2-3-13(18-9-12)7-11-1-4-14(19-8-11)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2/t15-/m0/s1
InChIKeyWCAQCXAVMHAOIQ-HNNXBMFYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323
N-(5-bromo-2-pyridinyl)-6-morpholin-2-ylpyridin-3-amine
CID 123138831
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
2-[5-[4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-2-pyridinyl]morpholine
CID 123186475
2-pyridin-2-ylmorpholine
CID 19353403
1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
CID 159544218
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
(2R)-2-pyrimidin-4-ylmorpholine
CID 92615197
2-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 86586429
5-bromo-2-(1,4-dioxan-2-yl)pyridine
CID 130138724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine?
The IUPAC name of (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine (CID 161462801) is (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine is Brc1ccc(Cc2ccc([C@@H]3CNCCO3)nc2)nc1.
What is the InChIKey of (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine?
The InChIKey is WCAQCXAVMHAOIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-2-3-13(18-9-12)7-11-1-4-14(19-8-11)15-10-17-5-6-20-15/h1-4,8-9,15,17H,5-7,10H2/t15-/m0/s1.
What are the key properties of (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine?
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine has a molecular weight of 334.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 161462801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).